6-ethoxy-N4-(phenylmethyl)-N2-(pyridin-1-ium-3-ylmethyl)-1,3,5-triazine-2,4-diamine

Systemtic Name: 6-ethoxy-N4-(phenylmethyl)-N2-(pyridin-1-ium-3-ylmethyl)-1,3,5-triazine-2,4-diamine Openeye Name: N4-benzyl-6-ethoxy-N2-(pyridin-1-ium-3-ylmethyl)-1,3,5-triazine-2,4-diamine CAS Name: 6-ethoxy-N4-(phenylmethyl)-N2-(3-pyridin-1-iumylmethyl)-1,3,5-triazine-2,4-diamine IUPAC Name: 4-N-benzyl-6-ethoxy-2-N-(pyridin-1-ium-3-ylmethyl)-1,3,5-triazine-2,4-diamine Traditional Name: benzyl-[4-ethoxy-6-(pyridin-1-ium-3-ylmethylamino)-s-triazin-2-yl]amine Formula: C18H21N6O+ MolecularWeight: 337.39894

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC(=NC(=N1)NCC2=C[NH+]=CC=C2)NCC3=CC=CC=C3

Isomeric SMILES

CCOC1=NC(=NC(=N1)NCC2=C[NH+]=CC=C2)NCC3=CC=CC=C3

InChI

InChI=1S/C18H20N6O/c1-2-25-18-23-16(20-12-14-7-4-3-5-8-14)22-17(24-18)21-13-15-9-6-10-19-11-15/h3-11H,2,12-13H2,1H3,(H2,20,21,22,23,24)/p+1